HMDB0285684 RDKit 3D PC(14:1(9Z)/20:3(5Z,8Z,11Z)-O(14R,15S)) 127127 0 0 0 0 0 0 0 0999 V2000 -10.8785 -0.0087 1.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7072 -0.1597 2.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5685 -1.1007 3.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2636 -0.5911 2.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9203 0.6990 3.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8341 0.9747 3.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7924 -0.0437 4.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4510 0.3831 3.5791 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9828 1.6530 4.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6353 2.0475 3.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0885 3.2642 4.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9178 3.9292 3.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4012 3.3360 3.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5505 2.2829 2.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2192 1.3256 2.2202 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6472 2.3066 1.5548 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 1.4882 0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5234 0.1157 0.7878 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5014 -0.9031 1.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0197 -2.2032 1.0555 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9777 -3.4036 1.5441 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.0862 -2.8391 2.4592 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -4.6189 2.4208 O 0 0 0 0 0 1 0 0 0 0 0 0 0.2086 -4.1506 0.2654 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1291 -3.7698 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8469 -4.4193 -0.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3412 -4.1839 -2.2740 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.1188 -2.7969 -2.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 -5.0083 -2.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4024 -4.6464 -3.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6903 0.0589 1.5534 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9151 -0.3977 1.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8735 -0.7435 -0.1624 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0879 -0.4293 1.9025 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3891 -0.8003 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9751 0.1456 0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2461 0.3739 -0.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7748 1.5603 -1.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9432 2.8166 -0.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7100 3.7957 -1.2907 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3760 4.9899 -1.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0799 5.5781 -1.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3900 6.0310 -2.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2151 5.6253 -2.9048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3051 4.6665 -2.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 3.5689 -3.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0266 2.6075 -2.5843 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3406 2.2140 -3.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 1.1943 -4.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8036 -0.1269 -3.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8199 -1.1829 -4.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2848 -2.5102 -4.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6779 -2.4389 -3.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3961 -0.8615 0.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3475 0.9137 1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9736 0.0132 1.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5071 0.7991 3.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6270 -0.6081 3.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7912 -2.1063 2.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4902 -1.2462 4.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4493 -0.3846 1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5119 -1.3687 2.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6496 1.5158 3.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7172 1.9924 4.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0322 -1.0628 3.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6284 -0.0198 5.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5025 0.5635 2.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7437 -0.4412 3.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8888 1.5953 5.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7468 2.4260 4.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9856 1.1807 3.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8122 2.0889 2.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0048 3.1011 5.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9406 4.0337 4.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8267 4.9662 4.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2403 4.2984 2.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7866 2.8769 4.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 4.1720 3.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8268 2.0757 -0.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2321 1.3806 -0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8323 -0.2723 -0.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5348 -0.7847 0.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3419 -0.8206 2.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2483 -2.6745 0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6009 -4.1642 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8533 -5.5153 -0.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9076 -4.0757 -0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -2.1290 -1.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -2.7108 -2.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8315 -2.4136 -3.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0718 -5.8426 -1.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7461 -4.4098 -2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2987 -5.5157 -3.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1712 -4.2611 -4.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3835 -4.2618 -2.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3719 -5.7615 -3.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1489 0.5812 2.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8738 -1.1570 2.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1548 -1.0252 2.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2082 -1.8108 0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0112 -0.2950 0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2583 1.0897 0.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0802 -0.4978 -1.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2577 1.5732 -2.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9477 3.2054 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5049 2.6351 0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7081 3.4416 -1.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0935 5.5889 -2.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3833 4.9506 -0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2869 6.5347 -0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8941 6.7731 -3.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8288 6.0636 -3.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3583 5.2380 -2.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6193 4.2403 -1.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4753 3.8547 -4.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9473 1.9113 -2.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9569 1.5737 -5.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 1.1199 -4.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1062 -0.4354 -2.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8108 -0.0290 -3.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5741 -0.8307 -5.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8557 -1.2428 -5.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5871 -2.8983 -3.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2618 -3.2213 -5.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6499 -2.6579 -2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1634 -1.4436 -3.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3562 -3.2052 -4.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 18 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 48 46 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 17 79 1 0 17 80 1 0 18 81 1 6 19 82 1 0 19 83 1 0 25 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 28 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 30 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 53127 1 0 M CHG 2 23 -1 27 1 M END